methyl 7-amino-1H-indene-2-carboxylate

C11H11NO2 — CID 160669454

IUPACmethyl 7-amino-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2cccc(N)c2C1
InChIInChI=1S/C11H11NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-5H,6,12H2,1H3
InChIKeyRMSVVXCEKHUZEN-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.38
Rot. Bonds1

About methyl 7-amino-1H-indene-2-carboxylate

methyl 7-amino-1H-indene-2-carboxylate (PubChem CID 160669454) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 7-amino-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-1H-indene-2-carboxylate
PubChem CID160669454
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 7-amino-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2cccc(N)c2C1
InChIInChI=1S/C11H11NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-5H,6,12H2,1H3
InChIKeyRMSVVXCEKHUZEN-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 8-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
CID 22620535
methyl 4-methyl-1H-indene-2-carboxylate
CID 154531762
methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
CID 10751295
methyl 6-chloro-1H-indene-2-carboxylate
CID 115026155
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
CID 102442420
methyl 6,6-dimethyl-5,7-dihydrobenzo[7]annulene-8-carboxylate
CID 22620570
methyl 1-(3-aminophenyl)-2-oxo-3H-pyrrole-4-carboxylate
CID 83824021
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 5,8-dihydroxy-1,4-dihydronaphthalene-2-carboxylate
CID 121000819
ethyl 9-amino-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 18319514
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-1H-indene-2-carboxylate?
The IUPAC name of methyl 7-amino-1H-indene-2-carboxylate (CID 160669454) is methyl 7-amino-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 7-amino-1H-indene-2-carboxylate?
The canonical SMILES for methyl 7-amino-1H-indene-2-carboxylate is COC(=O)C1=Cc2cccc(N)c2C1.
What is the InChIKey of methyl 7-amino-1H-indene-2-carboxylate?
The InChIKey is RMSVVXCEKHUZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-5H,6,12H2,1H3.
What are the key properties of methyl 7-amino-1H-indene-2-carboxylate?
methyl 7-amino-1H-indene-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-1H-indene-2-carboxylate is sourced from PubChem (CID 160669454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).